SCHEMBL1832049

SCHEMBL1832049

CCSc1nc(C(F)(F)F)nn1Cc1ccc(N)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.33
SLC2A1 P11166 1/20 0.33
S100B P04271 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.30
RAD52 P43351 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1855254 0.88 SKP2 (0.40) SKP2ADORA3ADORA2AADORA2BADORA1
SCHEMBL1836406 0.83 ADORA3 (0.39) SKP2ADORA3ADORA2AADORA2BADORA1
SCHEMBL1832384 0.82 ADORA3 (0.38) SKP2ADORA3ADORA2AADORA2BADORA1
SCHEMBL1834390 0.81 HPGD (0.37) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL1837306 0.81 ADORA3 (0.34) SKP2ADORA3ADORA2AADORA2BADORA1
SCHEMBL2162346 0.79 ADORA3 (0.35) SKP2ADORA3ADORA2AADORA2BADORA1
SCHEMBL2161392 0.79 ADORA3 (0.36) SKP2ADORA3ADORA2AADORA2BADORA1
SCHEMBL2161337 0.79 ADORA3 (0.36) SKP2ADORA3ADORA2AADORA2BADORA1
SCHEMBL1833131 0.79 ADORA3 (0.36) SKP2ADORA3ADORA2AADORA2BADORA1
SCHEMBL1835192 0.79 ADORA3 (0.36) SKP2ADORA3ADORA2AADORA2BADORA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 SKP2 2201/4885ADORA3 2498/4885ADORA2A 3815/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.